Category: 79669-50-4

In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 79669-50-4 as follows. SDS of cas: 79669-50-4

Compound BB-4A-2 (1.00 g, 4.37 mmol), compound BB-1A (1.40 g, 4.37 mmol) and potassium carbonate (1.81 g, 13.10 mmol) were dissolved in 1,4-dioxane (10 mL) and water (3 mL) under nitrogen atmosphere, followed by addition of (1,1′-bis(diphenylphosphino)ferrocene)palladium dichloride dichloromethane complex (356.50 mg, 436.55 mumol). The reaction mixture was stirred for 10 hours at 90 C under nitrogen atmosphere. After completion of the reaction, the reaction solution was cooled to room temperature and concentrated under reduced pressure, followed by addition of water (10 mL) and extraction with ethyl acetate (10 mL¡Á3). The organic phases were combined, washed with saturated brine (30 mL), dried over anhydrous sodium sulfate, filtered to remove the desiccant and concentrated under reduced pressure. The insoluble material was removed by filtration, and the obtained residue was purified by column chromatography (eluent: petroleum ether/ethyl acetate=100/1, 9/1) to obtain the title compound BB-4A-3 (yellow solid, 1.00 g, yield 59.74%). 1H NMR (400MHz,CDCl3) delta: 8.03 (d, J=2.0 Hz, 1H), 7.51 (dd, J=1.9, 7.9 Hz, 1H), 7.45 (d, J=8.8 Hz, 2H), 7.21 – 7.17 (m, 1H), 6.93 (d, J=8.8 Hz, 2H), 4.11 – 4.08 (m, 2H), 3.84 (s, 3H), 3.74 (t, J=4.9 Hz, 2H), 3.48 (t, J=6.7 Hz, 2H), 2.55 (s, 3H), 1.55 – 1.50 (m, 2H), 1.36 – 1.28 (m, 2H), 0.86 (t, J=7.4 Hz, 3H).

According to the analysis of related databases, 79669-50-4, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Medshine Discovery Inc.; LUO, Yunfu; BA, Yuyong; CHEN, Shuhui; (135 pag.)EP3567028; (2019); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

79669-50-4, name is methyl 5-bromo-2-methyl-benzoate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Computed Properties of C9H9BrO2

(2) A suspension of 1.19 g (9.46 mmol) of phenylboronic acid, 1.97 g (8.60 mmol) of methyl 5-bromo-2-methylbenzoate, 4 mg (0.017 mmol) of palladium (II) acetate, 2.97 g (21.5 mmol) of potassium carbonate, and 2.77 g (8.6 mmol) of tetrabutylammonium bromide in 20 ml of water was vigorously stirred under a stream of nitrogen, and stirred at 70 C. under an atmosphere of nitrogen for 1 hour. Water was added to the reaction mixture and it was extracted with tert-butyl methyl ether. The organic layer was dried and concentrated. The residue (1.9 g) was subjected to silica gel column chromatography (eluted with n-hexane:ethyl acetate=30:1) to obtain 1.65 g (7.29 mmol) of methyl 5-phenyl-2-methylbenzoate as an oil.

The synthetic route of 79669-50-4 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Sumitomo Chemical Company, Limited; US6489487; (2002); B1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 79669-50-4, name is methyl 5-bromo-2-methyl-benzoate, belongs to esters-buliding-blocks compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 79669-50-4, Application In Synthesis of methyl 5-bromo-2-methyl-benzoate

To a I OL five necked flask fitted with condenser, stirrer bar, N2 inlet and bubbler was added methyl-5-bromo-2methylbenzoate (500.0 g, 2.18 mol, 1.0 eq.) and Nbromosuccinimide (Fluorochem, 388.5 g, 2.18 mol, 1.0 eq.)to a stirring solution of 1,2-dichloroethane (1.9 L). Themixture was heated to 90 C (oil bath). Azobisisobutyronitrile (5.0 g, 0.03 mol, 0.014 eq.) was dissolved into DCE (100 mL) and 20 mL was added into a dropping funnel. This was added slowly when the reaction mixture reached 85 C. When the violent reflux and foaming ceased, the remaining 80 mL was added in one portion to the reaction mixture and left to stir at 90 C for 1 hr. NMR showed the reaction to be complete with around 11% of starting material stillremaining. The reaction mixture was then cooled to room temperature using cardice in the oil bath and once the internal temperature had fallen to -30C, the reaction mixture was quenched with water (2.OL). After 5 minutes, two identical reaction mixtures were combined, transferred to a separating funnel and the organic layer was collected. The aqueous layer was extracted again using DCM (2 x 2.OL). All the organic layers were combined and washed with water (2L) andbrine (2L), dried with MgSO4, filtered and concentrated under vacuo to give an orange liquid (1.397 kg, 104%, from 2 x 500g runs).

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, methyl 5-bromo-2-methyl-benzoate, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; OTSUKA PHARMACEUTICAL CO., LTD.; READER, Michael; WILSHER, Nicola Elizabeth; SAUNDERS, Mark Henry; BAGULEY, Paul Anthony; LINDLEY, Colin Thomas; MELLING, Robert Craig; ADAMCZYK, Bozena Ewa; SCARATI, Mirka; (117 pag.)WO2018/193410; (2018); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics